SCHEMBL90885

SCHEMBL90885

Bc1cccc(NC(=O)Nc2ccc(-c3cc(CN4CCNCC4)n4ncnc(N)c34)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 8/20 0.61
MERTK Q12866 2/20 0.46
ERN1 O75460 7/20 0.44
FLT3 P36888 1/20 0.42
TYRO3 Q06418 2/20 0.41
AXL P30530 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL58723 0.91 ACVRL1 (0.61) ACVRL1MERTKERN1FLT3TYRO3
SCHEMBL58166 0.81 ACVRL1 (0.61) ACVRL1MERTKFLT3TYRO3AXL
SCHEMBL60171 0.81 ACVRL1 (0.48) ACVRL1MERTKFLT3TYRO3AXL
SCHEMBL58355 0.81 ACVRL1 (0.61) ACVRL1MERTKFLT3AXL
SCHEMBL65127 0.81 ACVRL1 (0.65) ACVRL1MERTKFLT3AXL
SCHEMBL14700075 0.81 KDR (0.44) ACVRL1MERTKFLT3TYRO3AXL
SCHEMBL5031587 0.81 ACVRL1 (0.47) ACVRL1MERTKFLT3TYRO3AXL
SCHEMBL90887 0.80 ACVRL1 (0.59) ACVRL1MERTKFLT3AXL
SCHEMBL58436 0.80 ACVRL1 (0.59) ACVRL1MERTKFLT3AXL
SCHEMBL58839 0.80 ACVRL1 (0.47) ACVRL1MERTKFLT3TYRO3AXL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885MERTK 1749/4885ERN1 4560/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.